tert-butyl N-[(2-aminocarbonyl-3-phenylsulfanyl-1H-indol-5-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[(2-aminocarbonyl-3-phenylsulfanyl-1H-indol-5-yl)methyl]carbamate Openeye Name: tert-butyl N-[(2-carbamoyl-3-phenylsulfanyl-1H-indol-5-yl)methyl]carbamate CAS Name: N-[[2-carbamoyl-3-(phenylthio)-1H-indol-5-yl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-carbamoyl-3-phenylsulfanyl-1H-indol-5-yl)methyl]carbamate Traditional Name: N-[[2-carbamoyl-3-(phenylthio)-1H-indol-5-yl]methyl]carbamic acid tert-butyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H23N3O3S/c1-21(2,3)27-20(26)23-12-13-9-10-16-15(11-13)18(17(24-16)19(22)25)28-14-7-5-4-6-8-14/h4-11,24H,12H2,1-3H3,(H2,22,25)(H,23,26)